1.0 2011-04-11 15:43:16 UTC 2019-11-26 03:20:53 UTC FDB021803 Estrone glucuronide Estrone-glucuronide is the dominant metabolite of estradiol. Estrone glucuronide is formed by a UDP glucuronyltransferase (EC 2.4.1.17, UTP) reaction creating a much more water-soluble form of the hormone; glucuronides are the most abundant estrogen conjugates. Measurement of estrone-glucuronide is used as one reference method for determining ovulation (immunotubes are available for measuring urinary estrone glucuronide in conjunction with LH, one of the most advanced of ovulation prediction products). (PMID: 14742773, 1755456) [HMDB] Estrone 3-glucuronide Estrone 3-O-b-D-glucuronide Estrone 3-O-b-D-glucuronopyranoside Estrone b-D-glucuronide Estrone beta-D-glucuronide Estrone beta-delta-glucuronide Estrone glucuronide Estrone β-D-glucuronide Estrone-3-glucosiduronic acid C24H30O8 446.4902 446.194067936 3,4,5-trihydroxy-6-({15-methyl-14-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-trien-5-yl}oxy)oxane-2-carboxylic acid 3,4,5-trihydroxy-6-({15-methyl-14-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-trien-5-yl}oxy)oxane-2-carboxylic acid 2479-90-5 CC12CCC3C(CCC4=C3C=CC(OC3OC(C(O)C(O)C3O)C(O)=O)=C4)C1CCC2=O InChI=1S/C24H30O8/c1-24-9-8-14-13-5-3-12(10-11(13)2-4-15(14)16(24)6-7-17(24)25)31-23-20(28)18(26)19(27)21(32-23)22(29)30/h3,5,10,14-16,18-21,23,26-28H,2,4,6-9H2,1H3,(H,29,30) FJAZVHYPASAQKM-UHFFFAOYSA-N belongs to the class of organic compounds known as steroid glucuronide conjugates. These are sterol lipids containing a glucuronide moiety linked to the steroid skeleton. Steroid glucuronide conjugates Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides Aromatic heteropolycyclic compounds 17-oxosteroids Acetals Alkyl glycosides Beta hydroxy acids and derivatives Carboxylic acids Estrane steroids Fatty acyl glycosides of mono- and disaccharides Hydrocarbon derivatives Ketones Monocarboxylic acids and derivatives Monosaccharides O-glucuronides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenanthrenes and derivatives Phenolic glycosides Polyols Pyrans Secondary alcohols Tetralins 1-o-glucuronide 17-oxosteroid Acetal Alcohol Alkyl glycoside Aromatic heteropolycyclic compound Benzenoid Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Estrane-skeleton Fatty acyl Fatty acyl glycoside Fatty acyl glycoside of mono- or disaccharide Glucuronic acid or derivatives Glycosyl compound Hydrocarbon derivative Hydroxy acid Ketone Monocarboxylic acid or derivatives Monosaccharide O-glucuronide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Oxosteroid Phenanthrene Phenolic glycoside Polyol Pyran Secondary alcohol Steroid-glucuronide-skeleton Tetralin Solid logp 1.92 ALOGPS logs -3.17 ALOGPS solubility 3.03e-01 g/l ALOGPS logp 2.36 ChemAxon pka_strongest_acidic 3.3 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 3,4,5-trihydroxy-6-({15-methyl-14-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-trien-5-yl}oxy)oxane-2-carboxylic acid ChemAxon average_mass 446.4902 ChemAxon mono_mass 446.194067936 ChemAxon smiles CC12CCC3C(CCC4=C3C=CC(OC3OC(C(O)C(O)C3O)C(O)=O)=C4)C1CCC2=O ChemAxon formula C24H30O8 ChemAxon inchi InChI=1S/C24H30O8/c1-24-9-8-14-13-5-3-12(10-11(13)2-4-15(14)16(24)6-7-17(24)25)31-23-20(28)18(26)19(27)21(32-23)22(29)30/h3,5,10,14-16,18-21,23,26-28H,2,4,6-9H2,1H3,(H,29,30) ChemAxon inchikey FJAZVHYPASAQKM-UHFFFAOYSA-N ChemAxon polar_surface_area 133.52 ChemAxon refractivity 111.09 ChemAxon polarizability 47.13 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 8 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon HMDB04483 E3G #<Reference:0x00007f08d552c148> #<Reference:0x00007f08d5523980> #<Reference:0x00007f08d5523458> #<Reference:0x00007f08d5523048> #<Reference:0x00007f08d55229b8> #<Reference:0x00007f08d5522490> #<Reference:0x00007f08d5521f90> #<Reference:0x00007f08d5521a90> #<Reference:0x00007f08d55213b0> #<Reference:0x00007f08d5520fa0> #<Reference:0x00007f08d5520ac8> #<Reference:0x00007f08d5520410> #<Reference:0x00007f08d5557f78> #<Reference:0x00007f08d5557d98> #<Reference:0x00007f08d5557b18> #<Reference:0x00007f08d5557910> #<Reference:0x00007f08d5557730> #<Reference:0x00007f08d55574d8> #<Reference:0x00007f08d55572a8> #<Reference:0x00007f08d55570c8> #<Reference:0x00007f08d5556e70> #<Reference:0x00007f08d5556c40> #<Reference:0x00007f08d5556a60> #<Reference:0x00007f08d55568a8> #<Reference:0x00007f08d55565d8> #<Reference:0x00007f08d55563f8> #<Reference:0x00007f08d5556240> #<Reference:0x00007f08d5555f98> Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Milk (Cow) Type 2 specific 0.000027 0.00004479 0.00001792 uM Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823 Beta-glucuronidase P08236 GUSB UDP-glucuronosyltransferase 1-1 P22309 UGT1A1 UDP-glucuronosyltransferase 1-10 Q9HAW8 UGT1A10 UDP-glucuronosyltransferase 1-3 P35503 UGT1A3 UDP-glucuronosyltransferase 1-4 P22310 UGT1A4 UDP-glucuronosyltransferase 1-5 P35504 UGT1A5 UDP-glucuronosyltransferase 1-6 P19224 UGT1A6 UDP-glucuronosyltransferase 1-7 Q9HAW7 UGT1A7 UDP-glucuronosyltransferase 1-8 Q9HAW9 UGT1A8 UDP-glucuronosyltransferase 1-9 O60656 UGT1A9 UDP-glucuronosyltransferase 2A1 Q9Y4X1 UGT2A1 UDP-glucuronosyltransferase 2A3 Q6UWM9 UGT2A3 UDP-glucuronosyltransferase 2B10 P36537 UGT2B10 UDP-glucuronosyltransferase 2B11 O75310 UGT2B11 UDP-glucuronosyltransferase 2B15 P54855 UGT2B15 UDP-glucuronosyltransferase 2B17 O75795 UGT2B17 UDP-glucuronosyltransferase 2B28 Q9BY64 UGT2B28 UDP-glucuronosyltransferase 2B4 P06133 UGT2B4 UDP-glucuronosyltransferase 2B7 P16662 UGT2B7